(2E,6E)-2,6-bis[(2,4-dimethylphenyl)methylidene]cyclohexan-1-one

C24H26O — CID 46886187

IUPAC(2E,6E)-2,6-bis[(2,4-dimethylphenyl)methylidene]cyclohexan-1-one
SMILESCc1ccc(/C=C2\CCC/C(=C\c3ccc(C)cc3C)C2=O)c(C)c1
InChIInChI=1S/C24H26O/c1-16-8-10-20(18(3)12-16)14-22-6-5-7-23(24(22)25)15-21-11-9-17(2)13-19(21)4/h8-15H,5-7H2,1-4H3/b22-14+,23-15+
InChIKeyCKJNYOWNHKTLJP-HOFJZWJUSA-N
MW330.47 g/mol
LogP6.14
Rot. Bonds2

About (2E,6E)-2,6-bis[(2,4-dimethylphenyl)methylidene]cyclohexan-1-one

(2E,6E)-2,6-bis[(2,4-dimethylphenyl)methylidene]cyclohexan-1-one (PubChem CID 46886187) has the molecular formula C24H26O and a molecular weight of 330.47 g/mol. Its IUPAC name is (2E,6E)-2,6-bis[(2,4-dimethylphenyl)methylidene]cyclohexan-1-one.

Molecular Properties

Compound Name(2E,6E)-2,6-bis[(2,4-dimethylphenyl)methylidene]cyclohexan-1-one
PubChem CID46886187
Molecular FormulaC24H26O
Molecular Weight330.47 g/mol
Exact Mass330.20
IUPAC Name(2E,6E)-2,6-bis[(2,4-dimethylphenyl)methylidene]cyclohexan-1-one
SMILESCc1ccc(/C=C2\CCC/C(=C\c3ccc(C)cc3C)C2=O)c(C)c1
InChIInChI=1S/C24H26O/c1-16-8-10-20(18(3)12-16)14-22-6-5-7-23(24(22)25)15-21-11-9-17(2)13-19(21)4/h8-15H,5-7H2,1-4H3/b22-14+,23-15+
InChIKeyCKJNYOWNHKTLJP-HOFJZWJUSA-N
XLogP6.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.47
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_ene_A(57)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,6E)-2,6-bis[(2,4-dimethylphenyl)methylidene]cyclohexan-1-one?
The IUPAC name of (2E,6E)-2,6-bis[(2,4-dimethylphenyl)methylidene]cyclohexan-1-one (CID 46886187) is (2E,6E)-2,6-bis[(2,4-dimethylphenyl)methylidene]cyclohexan-1-one.
What is the SMILES notation for (2E,6E)-2,6-bis[(2,4-dimethylphenyl)methylidene]cyclohexan-1-one?
The canonical SMILES for (2E,6E)-2,6-bis[(2,4-dimethylphenyl)methylidene]cyclohexan-1-one is Cc1ccc(/C=C2\CCC/C(=C\c3ccc(C)cc3C)C2=O)c(C)c1.
What is the InChIKey of (2E,6E)-2,6-bis[(2,4-dimethylphenyl)methylidene]cyclohexan-1-one?
The InChIKey is CKJNYOWNHKTLJP-HOFJZWJUSA-N. The full InChI is InChI=1S/C24H26O/c1-16-8-10-20(18(3)12-16)14-22-6-5-7-23(24(22)25)15-21-11-9-17(2)13-19(21)4/h8-15H,5-7H2,1-4H3/b22-14+,23-15+.
What are the key properties of (2E,6E)-2,6-bis[(2,4-dimethylphenyl)methylidene]cyclohexan-1-one?
(2E,6E)-2,6-bis[(2,4-dimethylphenyl)methylidene]cyclohexan-1-one has a molecular weight of 330.47 g/mol, XLogP of 6.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-2,6-bis[(2,4-dimethylphenyl)methylidene]cyclohexan-1-one is sourced from PubChem (CID 46886187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).